N-[2-(3,4-dimethoxyphenyl)ethyl]-4-morpholin-4-yl-pyridin-1-ium-2-carboxamide

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-4-morpholin-4-yl-pyridin-1-ium-2-carboxamide Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-4-morpholino-pyridin-1-ium-2-carboxamide CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(4-morpholinyl)-2-pyridin-1-iumcarboxamide IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-4-morpholin-4-ylpyridin-1-ium-2-carboxamide Traditional Name: N-homoveratryl-4-morpholino-pyridin-1-ium-2-carboxamide Formula: C20H26N3O4+ MolecularWeight: 372.43814

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC(=O)C2=[NH+]C=CC(=C2)N3CCOCC3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC(=O)C2=[NH+]C=CC(=C2)N3CCOCC3)OC

InChI

InChI=1S/C20H25N3O4/c1-25-18-4-3-15(13-19(18)26-2)5-7-22-20(24)17-14-16(6-8-21-17)23-9-11-27-12-10-23/h3-4,6,8,13-14H,5,7,9-12H2,1-2H3,(H,22,24)/p+1